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Autor:
V.P. Bryksa, T.L. Petrenko
Publikováno v:
Physica B: Condensed Matter. 517:47-52
In paper (Baranov et al., 2008 [26]) the EPR spectrum with large 13C isotope hyperfine splitting was observed in neutron-irradiated 6H-SiC crystals and attributed to the positively charged carbon antisite C Si + . However up till now numerous ab init
Publikováno v:
Radiation Measurements. 41:577-581
Results of EPR study on the series of γ -irradiated and thermally treated tooth enamel plates are presented and discussed. The analysis of EPR lineshape variation shows that the thermal annealing causes the transformation of orthorhombic CO 2 - radi
Publikováno v:
Journal of Physics: Condensed Matter. 14:12433-12440
A cluster calculation of hyperfine coupling constants based on density functional theory (DFT) has been performed for the carbon � 100� split interstitial (VC +2 C) in various charge and spin states in cubic SiC along with the dihydrogen-containi
Publikováno v:
Physics of the Solid State. 44:831-836
The equilibrium geometry and hyperfine interaction constants of the nearest and next-to-nearest neighbor atoms are calculated for a negatively charged silicon vacancy in the high-spin state in cubic SiC. The calculations are performed within the clus
Publikováno v:
Applied Surface Science. 184:273-277
Cluster calculation of carbon and silicon vacancies in cubic SiC has been performed for the charge states of +1, 0 and −1 and possible spin states. The density functional theory has been used with the B3LYP exchange-correlation functional and Gauss
Publikováno v:
Physica B: Condensed Matter. :637-640
Theoretical simulation of hyperfine parameters for the nearest and next-nearest neighbor atoms of V C + in SiC has been performed for the cubic and hexagonal clusters. The gradient-corrected all-electron DFT calculations with Becke's three-parameter
Publikováno v:
Physica B: Condensed Matter. :621-624
The low-temperature X-band EPR study of Ky1 and Ky2 centers assigned to positively charged carbon vacancy (V + c ) in two quasicubic sites of 6H-SiC crystal is presented. The Cs symmetry, spin S = 1/2 and close coincidence of the g-tensor components
Autor:
V.Ya. Bratus, S. M. Okulov, T.T. Petrenko, Hans Jürgen von Bardeleben, I.N. Makeeva, T.L. Petrenko
Publikováno v:
Scopus-Elsevier
Publikováno v:
Applied Radiation and Isotopes. 52:1189-1193
Modeling of radical transformations in L -α-alanine after irradiation was performed for isolated radicals and for clusters. Special attention was devoted to the explanation of the experimental results concerning selective proton transfer and behavio